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. 2022 Jan 7;7(3):2661–2670. doi: 10.1021/acsomega.1c05027

Figure 2.

Figure 2

Optimized geometrical structures for the second mechanism of dimerization: formation of dimer D2 (Si–O–Si) at the B3LYP/6-31+G(d) level using the SMD solvation model. Bond lengths are in angstrom (Å); RC: reactant complex, TS: transition state, and PC: product complex.